Geometry & MOs

Info

ID:	66831
PubChem CID:	46505342
Reduced:	OS3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	462.103162
ΔH_f, kcal/mol:	66.33
Dipole, Da:	4.54
IP(EA), eV:	-8.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[5-imino-3-(2-methylpropylsulfanyl)-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl]-2,6-dimethoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)SC)/C(=N)N21

DOS

IR

Vibrations